N-(oxiran-2-ylmethyl)-N-prop-2-enylacetamide

C8H13NO2 — CID 88653775

IUPACN-(oxiran-2-ylmethyl)-N-prop-2-enylacetamide
SMILESC=CCN(CC1CO1)C(C)=O
InChIInChI=1S/C8H13NO2/c1-3-4-9(7(2)10)5-8-6-11-8/h3,8H,1,4-6H2,2H3
InChIKeyXGOZAVIPTVZNHB-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.42
Rot. Bonds4

About N-(oxiran-2-ylmethyl)-N-prop-2-enylacetamide

N-(oxiran-2-ylmethyl)-N-prop-2-enylacetamide (PubChem CID 88653775) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is N-(oxiran-2-ylmethyl)-N-prop-2-enylacetamide.

Molecular Properties

Compound NameN-(oxiran-2-ylmethyl)-N-prop-2-enylacetamide
PubChem CID88653775
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC NameN-(oxiran-2-ylmethyl)-N-prop-2-enylacetamide
SMILESC=CCN(CC1CO1)C(C)=O
InChIInChI=1S/C8H13NO2/c1-3-4-9(7(2)10)5-8-6-11-8/h3,8H,1,4-6H2,2H3
InChIKeyXGOZAVIPTVZNHB-UHFFFAOYSA-N
XLogP0.42
TPSA32.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(oxiran-2-ylmethyl)-N-prop-2-enylacetamide?
The IUPAC name of N-(oxiran-2-ylmethyl)-N-prop-2-enylacetamide (CID 88653775) is N-(oxiran-2-ylmethyl)-N-prop-2-enylacetamide.
What is the SMILES notation for N-(oxiran-2-ylmethyl)-N-prop-2-enylacetamide?
The canonical SMILES for N-(oxiran-2-ylmethyl)-N-prop-2-enylacetamide is C=CCN(CC1CO1)C(C)=O.
What is the InChIKey of N-(oxiran-2-ylmethyl)-N-prop-2-enylacetamide?
The InChIKey is XGOZAVIPTVZNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-3-4-9(7(2)10)5-8-6-11-8/h3,8H,1,4-6H2,2H3.
What are the key properties of N-(oxiran-2-ylmethyl)-N-prop-2-enylacetamide?
N-(oxiran-2-ylmethyl)-N-prop-2-enylacetamide has a molecular weight of 155.20 g/mol, XLogP of 0.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxiran-2-ylmethyl)-N-prop-2-enylacetamide is sourced from PubChem (CID 88653775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).